Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 7/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.33 |
| ▸ | CCKAR | P32238 | 2/20 | 0.32 |
| ▸ | CCKBR | P32239 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.32 |
| ▸ | AKT2 | P31751 | 5/20 | 0.32 |
| ▸ | AKT3 | Q9Y243 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.32 |
| ▸ | PRCP | P42785 | 2/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5173387 | 0.86 | ITGB1 (0.44) | ITGB1ITGAVABL1CCKARCCKBR | |
| SCHEMBL3319927 | 0.82 | ITGB1 (0.62) | ITGB1ITGAVABL1CCKARCCKBR | |
| SCHEMBL3320918 | 0.80 | ITGB1 (0.70) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL1028110 | 0.79 | ITGB1 (0.55) | ITGB1ITGAVABL1CCKARCCKBR | |
| SCHEMBL1030227 | 0.79 | ITGB1 (0.46) | ITGB1ITGAVABL1CCKARCCKBR | |
| SCHEMBL3315803 | 0.79 | ALDH1A1 (0.37) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4750012 | 0.77 | ITGB1 (0.49) | ITGB1ITGAVABL1CYP1A2CYP2C9 | |
| SCHEMBL4626500 | 0.77 | ITGB1 (0.49) | ITGB1ITGAVABL1CYP1A2CYP2C9 | |
| SCHEMBL4625161 | 0.77 | ITGB1 (0.45) | ITGB1ITGAVABL1CCKARCCKBR | |
| SCHEMBL3313211 | 0.77 | ITGB1 (0.51) | ITGB1ITGAVABL1CCKARCCKBR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501801-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093237-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2003-11-13 | — | — | WO | disclosed |